4-[2,5-dimethyl-3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoyl]pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[2,5-dimethyl-3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoyl]pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[2,5-dimethyl-3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[2,5-dimethyl-3-[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[2,5-dimethyl-3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]pyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[2,5-dimethyl-3-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]pyrrol-1-yl]benzenesulfonamide Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C20H27N3O3S/c1-14-6-4-5-11-22(14)13-20(24)19-12-15(2)23(16(19)3)17-7-9-18(10-8-17)27(21,25)26/h7-10,12,14H,4-6,11,13H2,1-3H3,(H2,21,25,26)/p+1/t14-/m0/s1